REMARK Name = BDB026711 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -5.861 1.433 1.036 0.00 0.00 -0.275 OA ATOM 2 C LIG 1 -4.725 1.081 0.726 0.00 0.00 +0.218 C ATOM 3 N LIG 1 -4.179 -0.068 1.234 0.00 0.00 -0.285 N ATOM 4 H LIG 1 -4.747 -0.564 1.909 0.00 0.00 +0.155 HD ATOM 5 C LIG 1 -2.919 -0.559 0.881 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -2.227 0.022 -0.189 0.00 0.00 -0.025 A ATOM 7 C LIG 1 -0.972 -0.483 -0.551 0.00 0.00 +0.018 A ATOM 8 C LIG 1 -0.408 -1.535 0.180 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -1.122 -2.131 1.226 0.00 0.00 +0.015 A ATOM 10 C LIG 1 -2.892 1.101 -0.994 0.00 0.00 +0.046 C ATOM 11 C LIG 1 -2.380 -1.641 1.579 0.00 0.00 +0.024 A ATOM 12 C LIG 1 -3.820 1.938 -0.129 0.00 0.00 +0.101 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 0.894 -2.116 -0.212 0.00 0.00 +0.252 C ATOM 14 N LIG 1 2.018 -1.322 -0.310 0.00 0.00 -0.252 N ATOM 15 C LIG 1 2.245 -0.044 0.210 0.00 0.00 +0.131 A ATOM 16 C LIG 1 3.553 0.342 -0.062 0.00 0.00 -0.006 A ATOM 17 C LIG 1 4.015 1.573 0.369 0.00 0.00 +0.008 A ATOM 18 C LIG 1 3.132 2.375 1.085 0.00 0.00 +0.020 A ATOM 19 C LIG 1 1.844 1.905 1.323 0.00 0.00 +0.113 A ATOM 20 C LIG 1 4.277 -0.695 -0.854 0.00 0.00 +0.058 C ATOM 21 N LIG 1 1.379 0.706 0.900 0.00 0.00 -0.240 NA ATOM 22 C LIG 1 3.287 -1.862 -0.798 0.00 0.00 +0.120 C ATOM 23 O LIG 1 0.918 -3.321 -0.471 0.00 0.00 -0.270 OA ENDBRANCH 8 13 TORSDOF 1